- InChI
- InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
- InChI Key
- CRZQGDNQQAALAY-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- COC(=O)Cc1ccccc1
- Molecular Weight1
- 150.17
- CAS
- 101-41-7
- Other Names
-
- Acetic acid, phenyl-, methyl ester
- Methyl «alpha»-toluate
- Methyl benzeneacetate
- Methyl phenylacetate
- Methyl 2-phenylacetate
- Phenylacetic acid, methyl ester
- Methyl ester of phenylacetic acid
- Mephaneine
- Methyl phenylethanoate
- Methyl benzeneethanoate
- NSC 401667
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -96.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.40 | kJ/mol | NIST |
| log10WS | -1.56 | Crippen Calculated Property | |
| logPoct/wat | 1.402 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Inp | [1117.00; 1194.00] |
|
|
| Inp | 1145.60 | NIST | |
| Inp | 1147.51 | NIST | |
| Inp | 1149.57 | NIST | |
| Inp | 1151.74 | NIST | |
| Inp | 1154.04 | NIST | |
| Inp | 1156.39 | NIST | |
| Inp | 1158.70 | NIST | |
| Inp | 1139.02 | NIST | |
| Inp | 1140.48 | NIST | |
| Inp | 1142.07 | NIST | |
| Inp | 1143.76 | NIST | |
| Inp | 1148.60 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1193.60 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | Outlier 1117.00 | NIST | |
| Inp | 1178.90 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1193.60 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1186.00 | NIST | |
| I | [1725.00; 1779.00] |
|
|
| I | 1748.00 | NIST | |
| I | 1748.00 | NIST | |
| I | 1749.00 | NIST | |
| I | 1761.00 | NIST | |
| I | 1754.00 | NIST | |
| I | Outlier 1725.00 | NIST | |
| I | 1760.00 | NIST | |
| I | 1758.00 | NIST | |
| I | Outlier 1726.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1747.00 | NIST | |
| I | Outlier 1779.00 | NIST | |
| I | 1761.00 | NIST | |
| I | 1747.00 | NIST | |
| I | 1754.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1748.00 | NIST | |
| Tboil | 491.20 | K | NIST |
| Tc | 724.46 | K | Joback Calculated Property |
| Tfus | 289.77 | K | Joback Calculated Property |
| Vc | 0.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.39; 321.72] | J/mol×K | [508.29; 724.46] |
|
| Cp,gas | 256.39 | J/mol×K | 508.29 | Joback Calculated Property |
| Cp,gas | 269.00 | J/mol×K | 544.32 | Joback Calculated Property |
| Cp,gas | 280.90 | J/mol×K | 580.35 | Joback Calculated Property |
| Cp,gas | 292.11 | J/mol×K | 616.37 | Joback Calculated Property |
| Cp,gas | 302.63 | J/mol×K | 652.40 | Joback Calculated Property |
| Cp,gas | 312.50 | J/mol×K | 688.43 | Joback Calculated Property |
| Cp,gas | 321.72 | J/mol×K | 724.46 | Joback Calculated Property |
| η | [0.0002308; 0.0023343] | Pa×s | [289.77; 508.29] |
|
| η | 0.0023343 | Pa×s | 289.77 | Joback Calculated Property |
| η | 0.0012799 | Pa×s | 326.19 | Joback Calculated Property |
| η | 0.0007918 | Pa×s | 362.61 | Joback Calculated Property |
| η | 0.0005347 | Pa×s | 399.03 | Joback Calculated Property |
| η | 0.0003856 | Pa×s | 435.45 | Joback Calculated Property |
| η | 0.0002925 | Pa×s | 471.87 | Joback Calculated Property |
| η | 0.0002308 | Pa×s | 508.29 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 404.70 | K | 6.70 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, methyl ester.
Sources
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